N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C20H15Cl2FN2OS — CID 155567488

IUPACN-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1cccc(F)c1
InChIInChI=1S/C20H15Cl2FN2OS/c21-13-9-14(22)11-16(10-13)24-20(26)25-6-4-18-17(5-7-27-18)19(25)12-2-1-3-15(23)8-12/h1-3,5,7-11,19H,4,6H2,(H,24,26)
InChIKeyXKGDBADCUICCEX-UHFFFAOYSA-N
MW421.32 g/mol
LogP6.37
Rot. Bonds2

About N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155567488) has the molecular formula C20H15Cl2FN2OS and a molecular weight of 421.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155567488
Molecular FormulaC20H15Cl2FN2OS
Molecular Weight421.32 g/mol
Exact Mass420.03
IUPAC NameN-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1cccc(F)c1
InChIInChI=1S/C20H15Cl2FN2OS/c21-13-9-14(22)11-16(10-13)24-20(26)25-6-4-18-17(5-7-27-18)19(25)12-2-1-3-15(23)8-12/h1-3,5,7-11,19H,4,6H2,(H,24,26)
InChIKeyXKGDBADCUICCEX-UHFFFAOYSA-N
XLogP6.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.32
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739405
N-phenyl-4-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325679
4-(2-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325681
4-(4-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325683
N-(2-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325922
N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325923
N-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325924
N-(4-fluorophenyl)-7-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 57325926
N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155516839
4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155568207
N-benzo[b]thiophen-3-ylmethyl-N'-(3,5-dichlorophenyl)urea
CID 2732430
N-(1-benzothiophen-3-yl)-N'-(3-chloro-4-fluorophenyl)urea
CID 2816295

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155567488) is N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1cccc(F)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is XKGDBADCUICCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2OS/c21-13-9-14(22)11-16(10-13)24-20(26)25-6-4-18-17(5-7-27-18)19(25)12-2-1-3-15(23)8-12/h1-3,5,7-11,19H,4,6H2,(H,24,26).
What are the key properties of N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 421.32 g/mol, XLogP of 6.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155567488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).